Your message dated Tue, 3 Nov 2020 13:26:49 +0200
with message-id
<CAEZpsw3kR6y7g5aa1h=88fxxrmkzncg9kzyifnm3lnvg3a2...@mail.gmail.com>
and subject line 934145: done
has caused the Debian Bug report #934145,
regarding ITP: openchemlib -- framework providing cheminformatics core
functionality
to be marked as done.
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If this is not the case it is now your responsibility to reopen the
Bug report if necessary, and/or fix the problem forthwith.
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--
934145: https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=934145
Debian Bug Tracking System
Contact [email protected] with problems
--- Begin Message ---
Package: wnpp
Owner: Andrius Merkys <[email protected]>
Severity: wishlist
* Package name : openchemlib
Version : 2019.7.0
Upstream Author : Idorsia Pharmaceuticals Ltd
* URL : https://github.com/Actelion/openchemlib
* License : BSD-3-clause
Programming Lang: Java
Description : framework providing cheminformatics core functionality
OpenChemLib is Java based framework providing cheminformatics core
functionality and user interface components. Its main focus is on organics
chemistry and small molecules. It is built around a StereoMolecule class,
which represents a molecule using atom and bond tables, provides atom
neighbours, ring and aromaticity information, and supports MDL's concept of
enhanced stereo representation. Additional classes provide, 2D-depiction,
descriptor calculation, molecular similarity and substructure search,
reaction search, property prediction, conformer generation, support for
molfile and SMILES formats, energy minimization, ligand-protein
interactions, and more. OpenChemLib's idcode represents molecules,
fragments or reactions as canonical, very compact string that includes
stereo and query features.
.
Different to other cheminformatics frameworks, OpenChemLib also provides
user interface components that allow to easily embed chemical functionality
into Java applications, e.g. to display or edit chemical structures or
reactions.
Remark: This package is to be maintained with Debian Java Maintainers at
https://salsa.debian.org/java-team/openchemlib
--
Andrius Merkys
Vilnius University Institute of Biotechnology, Saulėtekio al. 7, room V325
LT-10257 Vilnius, Lithuania
--- End Message ---
--- Begin Message ---
Version: 2020.3.0.117.g5b2f49e+dfsg-1
I am closing this bug as it was not closed automatically.
Best,
Andrius
--- End Message ---
